![5-[(E)-[(furan-2-yl)methylidene]amino]-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile structure](/static/products/1020/1020252-46-3.webp)
5-[(E)-[(furan-2-yl)methylidene]amino]-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile
TL;DR: 5-[(E)-[(furan-2-yl)methylidene]amino]-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile (CAS 1020252-46-3) is a chemical compound with molecular formula C17H10F3N5O2 and molecular weight 373.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-5-(furan-2-ylmethylideneamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyrimidine-4-carbonitrile
Also Known As: 5-[(E)-[(furan-2-yl)methylidene]amino]-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile, 5-{[(E)-2-furylmethylidene]amino}-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile, 6-amino-5-(furan-2-ylmethylideneamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyrimidine-4-carbonitrile, 5-(1-Aza-2-(2-furyl)vinyl)-4-imino-2-oxo-3-(3-(trifluoromethyl)phenyl)-1H-1,3-diazine-6-carbonitrile, 5-{(E)-2-Furylmethylideneamino}-6-imino-2-oxo-1-3-(trifluoromethyl)phenyl-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile
| Molecular Formula | C17H10F3N5O2 |
|---|---|
| Molecular Weight | 373.08 g/mol |
| LogP | 3.04878 |
| Topological Polar Surface Area | 110.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 373.07867 |
| Heavy Atoms | 27 |
| Complexity | 1109.0731 |
Chemical Identifiers
| CAS Number | 1020252-46-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C(=C(C(=NC2=O)C#N)N=CC3=CC=CO3)N)C(F)(F)F |
Product Overview
5-[(E)-[(furan-2-yl)methylidene]amino]-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile (CAS 1020252-46-3), with molecular formula C17H10F3N5O2 and molecular weight 373.08 g/mol. IUPAC: 6-amino-5-(furan-2-ylmethylideneamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyrimidine-4-carbonitrile.
Chemical Property Profile of 5-[(E)-[(furan-2-yl)methylidene]amino]-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile
Property Insights of 5-[(E)-[(furan-2-yl)methylidene]amino]-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile
The XLogP value of 3.04878 indicates that 5-[(E)-[(furan-2-yl)methylidene]amino]-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(E)-[(furan-2-yl)methylidene]amino]-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile. Following Lipinski's Rule of Five, 5-[(E)-[(furan-2-yl)methylidene]amino]-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-[(E)-[(furan-2-yl)methylidene]amino]-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile?
The CAS number of 5-[(E)-[(furan-2-yl)methylidene]amino]-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile is 1020252-46-3.
What is the molecular formula of 5-[(E)-[(furan-2-yl)methylidene]amino]-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile?
The molecular formula of 5-[(E)-[(furan-2-yl)methylidene]amino]-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile is C17H10F3N5O2.
What is the molecular weight of 5-[(E)-[(furan-2-yl)methylidene]amino]-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile?
The molecular weight of 5-[(E)-[(furan-2-yl)methylidene]amino]-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile is 373.08 g/mol.
Where can I buy 5-[(E)-[(furan-2-yl)methylidene]amino]-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile?
You can request a quote for 5-[(E)-[(furan-2-yl)methylidene]amino]-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(E)-[(furan-2-yl)methylidene]amino]-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-[(E)-[(furan-2-yl)methylidene]amino]-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.